8Y1Y

Crystal structure of the Mcl-1 in complex with a long BH3 peptide of BAK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-18
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	52.484, 59.187, 59.877
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.470 - 2.010
R-factor	0.2115
Rwork	0.207
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.643
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.470	2.084
High resolution limit [Å]	2.010	2.010
Rmerge	0.113	1.022
Rmeas	0.126	1.132
Rpim	0.054	0.479
Number of reflections	12840	1255
<I/σ(I)>	10.31	2.64
Completeness [%]	99.6	99.45
Redundancy	5.2	5.3
CC(1/2)	0.996	0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.01M Nickel (II) Chloride, 0.1M Tris-HCl pH 8.5, 20% polyethylene glycol monomethyl ether 2000